6I8P

Dye type peroxidase Aa from Streptomyces lividans: 78.4 kGy structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	73.010, 68.362, 74.937
Unit cell angles	90.00, 105.67, 90.00

Refinement procedure

Resolution	37.398 - 1.730
R-factor	0.1789
Rwork	0.177
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.831
Data reduction software	DENZO
Data scaling software	cctbx.prime
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.916	0.893
Number of reflections	74214
<I/σ(I)>	2.48	0.58
Completeness [%]	100.0	100
Redundancy	51.4
CC(1/2)	0.959	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	293	7 mg/ml protein mixed with 17% PEG 1500 and 67 mM MIB buffer (comprising imidazole, malonate and boric acid)